Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2016.11.158 ◽

2017 ◽

Vol 396 ◽

pp. 1335-1342 ◽

Cited By ~ 15

Author(s):

Hiroto Tachikawa

Keyword(s):

Density Functional Theory ◽

Hydrogen Atom ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Nanoflakes

Download Full-text

Mechanism of Li storage on graphene nanoflakes: Density functional theory study

Surface Science ◽

10.1016/j.susc.2019.121489 ◽

2020 ◽

Vol 691 ◽

pp. 121489

Author(s):

Hiroto Tachikawa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Nanoflakes ◽

Li Storage

Download Full-text

Methyl radical addition to the surface of graphene nanoflakes: A density functional theory study

Surface Science ◽

10.1016/j.susc.2018.09.013 ◽

2019 ◽

Vol 679 ◽

pp. 196-201

Author(s):

Hiroto Tachikawa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Radical Addition ◽

Density Functional Theory Study ◽

Methyl Radical ◽

Functional Theory ◽

Graphene Nanoflakes

Download Full-text

Hydrogenation of graphene nanoflakes and C–H bond dissociation of hydrogenated graphene nanoflakes: a density functional theory study

Advances in Manufacturing ◽

10.1007/s40436-017-0180-y ◽

2017 ◽

Vol 5 (3) ◽

pp. 289-298

Author(s):

Sheng Tao ◽

Hui-Ting Liu ◽

Liu-Ming Yan ◽

Bao-Hua Yue ◽

Ai-Jun Li

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bond Dissociation ◽

Graphene Nanoflakes ◽

Hydrogenated Graphene

Download Full-text

Hydrogen atom transfer in alkane thiol-gold cluster complexes: A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.07.008 ◽

2013 ◽

Vol 1021 ◽

pp. 171-176 ◽

Cited By ~ 4

Author(s):

S.C. Smith ◽

I.P. Hamilton

Keyword(s):

Density Functional Theory ◽

Hydrogen Atom ◽

Density Functional ◽

Gold Cluster ◽

Hydrogen Atom Transfer ◽

Atom Transfer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster Complexes ◽

Alkane Thiol

Download Full-text

Density functional theory study of the inner hydrogen atom transfer in metal-free porphyrins: Meso-substitutional effects

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2006.12.008 ◽

2007 ◽

Vol 26 (1) ◽

pp. 319-326 ◽

Cited By ~ 15

Author(s):

Yuexing Zhang ◽

Ping Yao ◽

Xue Cai ◽

Hui Xu ◽

Xianxi Zhang ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Atom ◽

Density Functional ◽

Hydrogen Atom Transfer ◽

Atom Transfer ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Free

Download Full-text

Density Functional Theory Study of Hydrogen Atom Abstraction from a Series ofpara-Substituted Phenols: Why is the Hammett σp+Constant Able to Represent Radical Reaction Rates?

The Journal of Organic Chemistry ◽

10.1021/jo200450p ◽

2011 ◽

Vol 76 (11) ◽

pp. 4564-4570 ◽

Cited By ~ 13

Author(s):

Tatsusada Yoshida ◽

Koji Hirozumi ◽

Masataka Harada ◽

Seiji Hitaoka ◽

Hiroshi Chuman

Keyword(s):

Density Functional Theory ◽

Hydrogen Atom ◽

Density Functional ◽

Radical Reaction ◽

Reaction Rates ◽

Hydrogen Atom Abstraction ◽

Density Functional Theory Study ◽

Substituted Phenols ◽

Functional Theory

Download Full-text

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Download Full-text

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Download Full-text